Geometry & MOs

Info

ID:	374865
PubChem CID:	131349578
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-72.7
Dipole, Da:	4.28
IP(EA), eV:	-9.16(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-oxo-2H-isoquinoline-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NC=CC2=C1C=CC=C2O

DOS

IR

Vibrations